#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugi h ASN 3 N 0.00 0.00 -0.06 1.09 -0.73 -2.04 -3.05 115.58 110.78 1ugi h ASN 3 Ca 0.00 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.16 1ugi h ASN 3 Cb 0.00 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.59 1ugi h ASN 3 CO 0.00 0.39 -0.01 -0.07 -0.37 0.00 0.00 177.43 177.37 1ugi h LEU 4 N 0.00 0.12 -1.97 0.34 3.38 -2.00 -2.46 115.31 112.72 1ugi h LEU 4 Ca -0.00 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.64 1ugi h LEU 4 Cb 1.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1ugi h LEU 4 CO 0.05 0.45 0.08 0.77 0.09 0.00 0.00 178.44 179.88 1ugi h SER 5 N -0.21 0.03 0.06 -0.43 4.64 -1.90 -2.54 113.55 113.21 1ugi h SER 5 Ca 0.02 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ugi h SER 5 Cb 0.39 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1ugi h SER 5 CO 0.01 0.02 -0.03 0.44 -0.87 0.00 0.00 176.83 176.40 1ugi h ASP 6 N 0.04 -0.07 -0.09 4.97 5.19 -1.38 0.40 116.42 125.48 1ugi h ASP 6 Ca 0.05 -0.32 0.04 0.00 -0.62 0.00 0.00 57.03 56.19 1ugi h ASP 6 Cb 0.16 0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.63 1ugi h ASP 6 CO -0.00 0.28 -0.37 0.40 -3.12 0.00 0.00 179.24 176.43 1ugi h ILE 7 N -0.44 0.22 0.00 0.35 2.04 -1.03 0.85 117.51 119.51 1ugi h ILE 7 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1ugi h ILE 7 Cb 0.38 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1ugi h ILE 7 CO 0.01 0.00 -0.01 0.40 0.00 0.00 0.00 178.15 178.55 1ugi h ILE 8 N -0.46 0.98 -0.28 -0.67 2.04 -1.49 0.21 117.51 117.84 1ugi h ILE 8 Ca 0.08 -0.05 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 1ugi h ILE 8 Cb 0.59 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1ugi h ILE 8 CO -0.35 0.01 -0.21 -0.08 0.00 0.00 0.00 178.15 177.52 1ugi h GLU 9 N 0.00 0.64 -0.24 2.37 4.57 0.10 0.21 114.58 122.22 1ugi h GLU 9 Ca -0.00 -0.31 0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1ugi h GLU 9 Cb 0.02 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 1ugi h GLU 9 CO 0.00 0.91 0.10 -0.22 -1.18 0.00 0.00 179.01 178.62 1ugi h LYS 10 N 0.37 0.21 -0.14 1.92 3.64 0.14 1.44 116.57 124.15 1ugi h LYS 10 Ca 0.05 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 1ugi h LYS 10 Cb 0.76 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1ugi h LYS 10 CO 0.06 0.14 -0.54 0.93 -2.27 0.00 0.00 179.45 177.76 1ugi h GLU 11 N 0.22 0.42 0.00 1.90 4.39 -0.63 -3.34 114.58 117.54 1ugi h GLU 11 Ca 0.10 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.54 1ugi h GLU 11 Cb 0.05 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1ugi h GLU 11 CO -0.09 0.85 -0.92 0.25 -1.16 0.00 0.00 179.01 177.94 1ugi n THR 12 N -3.94 0.00 -1.00 1.13 -2.24 0.73 -4.96 114.28 104.00 1ugi n THR 12 Ca -0.03 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1ugi n THR 12 Cb 0.59 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 1ugi n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugi n GLY 13 N 1.64 0.57 3.17 3.38 0.00 0.49 -5.01 105.19 109.44 1ugi n GLY 13 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1ugi n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugi s LYS 14 N -0.05 1.25 -0.31 1.61 1.02 -1.23 -5.02 119.74 117.01 1ugi s LYS 14 Ca 0.00 -0.71 -0.21 0.00 0.02 0.00 0.00 55.97 55.07 1ugi s LYS 14 Cb 0.00 -1.26 -0.01 0.00 -0.52 0.00 0.00 37.83 36.05 1ugi s LYS 14 CO 0.00 0.33 0.65 -0.65 -0.92 0.00 0.00 175.35 174.76 1ugi s GLN 15 N -0.75 3.87 0.15 1.68 -1.52 -1.26 -3.58 119.66 118.25 1ugi s GLN 15 Ca 0.05 0.30 0.08 0.00 -1.95 0.00 0.00 55.36 53.84 1ugi s GLN 15 Cb -0.07 -3.74 -0.04 0.00 -0.22 0.00 0.00 33.01 28.94 1ugi s GLN 15 CO 0.00 -0.61 -0.17 -0.51 -0.25 0.00 0.00 175.29 173.75 1ugi s LEU 16 N 2.67 2.42 -0.06 2.90 1.43 -1.26 -5.10 118.68 121.67 1ugi s LEU 16 Ca 0.26 -0.84 -0.30 0.00 -1.03 0.00 0.00 54.13 52.23 1ugi s LEU 16 Cb -0.15 -0.76 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 1ugi s LEU 16 CO 0.12 -0.06 1.22 -0.69 0.23 0.00 0.00 176.35 177.18 1ugi s VAL 17 N -2.01 4.21 -0.19 -1.59 1.01 -1.26 -4.91 120.40 115.66 1ugi s VAL 17 Ca 0.13 1.53 -0.15 0.00 0.00 0.00 0.00 61.98 63.50 1ugi s VAL 17 Cb -0.06 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1ugi s VAL 17 CO 0.05 -0.02 0.35 -0.63 0.00 0.00 0.00 175.10 174.85 1ugi s ILE 18 N 2.38 5.25 0.48 2.22 -1.09 -1.26 -4.24 121.20 124.93 1ugi s ILE 18 Ca 0.56 0.62 -0.14 0.00 -2.23 0.00 0.00 60.65 59.47 1ugi s ILE 18 Cb -0.25 -3.68 -0.07 0.00 -1.58 0.00 0.00 42.46 36.88 1ugi s ILE 18 CO 0.21 0.30 0.91 -1.10 -1.23 0.00 0.00 174.94 174.03 1ugi s GLN 19 N 1.02 3.85 0.26 2.79 -0.21 0.29 -4.96 119.66 122.69 1ugi s GLN 19 Ca 0.17 0.74 -0.30 0.00 0.02 0.00 0.00 55.36 55.99 1ugi s GLN 19 Cb -0.14 -2.23 -0.14 0.00 1.00 0.00 0.00 33.01 31.50 1ugi s GLN 19 CO 0.07 -0.21 1.21 0.39 -2.12 0.00 0.00 175.29 174.63 1ugi n GLU 20 N -1.60 1.65 -1.90 2.91 -0.58 -1.26 -4.16 120.64 115.70 1ugi n GLU 20 Ca 0.05 0.58 -0.35 0.00 -0.42 0.00 0.00 57.16 57.02 1ugi n GLU 20 Cb 0.54 -2.11 0.04 0.00 -0.57 0.00 0.00 31.44 29.35 1ugi n GLU 20 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1ugi s SER 21 N -0.13 5.05 -0.10 1.62 1.04 -1.26 -4.75 113.70 115.18 1ugi s SER 21 Ca 0.64 2.32 0.03 0.00 0.48 0.00 0.00 55.95 59.42 1ugi s SER 21 Cb -0.70 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 62.84 1ugi s SER 21 CO 0.55 -1.68 -0.17 -0.63 0.98 0.00 0.00 173.24 172.29 1ugi s ILE 22 N -1.76 1.60 0.00 -1.02 1.01 -0.64 -4.93 121.20 115.46 1ugi s ILE 22 Ca 0.75 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 1ugi s ILE 22 Cb -0.28 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 1ugi s ILE 22 CO 0.36 0.46 0.95 -0.22 0.00 0.00 0.00 174.94 176.49 1ugi s LEU 23 N 0.70 4.38 -0.04 2.97 0.20 -1.26 -0.34 118.68 125.29 1ugi s LEU 23 Ca -0.12 1.63 0.03 0.00 0.69 0.00 0.00 54.13 56.36 1ugi s LEU 23 Cb -0.16 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.08 1ugi s LEU 23 CO 0.03 -0.23 -0.14 -0.04 -0.29 0.00 0.00 176.35 175.68 1ugi s MET 24 N 0.88 1.50 0.50 1.98 -1.94 0.33 -4.97 119.30 117.58 1ugi s MET 24 Ca 0.50 -0.48 -0.20 0.00 -1.71 0.00 0.00 55.69 53.80 1ugi s MET 24 Cb -0.21 -1.32 -0.08 0.00 2.01 0.00 0.00 34.83 35.24 1ugi s MET 24 CO 0.27 0.18 1.05 -0.51 -0.01 0.00 0.00 175.02 176.00 1ugi s LEU 25 N 0.16 3.81 0.27 -0.03 1.43 -1.26 -1.10 118.68 121.95 1ugi s LEU 25 Ca -0.05 1.94 -0.00 0.00 -1.03 0.00 0.00 54.13 54.99 1ugi s LEU 25 Cb -0.11 -4.56 0.60 0.00 0.03 0.00 0.00 46.19 42.15 1ugi s LEU 25 CO 0.02 -0.86 1.69 -0.65 0.23 0.00 0.00 176.35 176.78 1ugi h PRO 26 N 1.43 0.32 0.00 1.29 0.11 -1.87 0.37 132.00 133.65 1ugi h PRO 26 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ugi h PRO 26 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ugi h PRO 26 CO 0.59 0.21 0.00 1.05 -0.21 0.00 0.00 178.00 179.63 1ugi h GLU 27 N 0.32 0.00 0.00 1.05 4.11 -1.92 -2.14 114.58 116.01 1ugi h GLU 27 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1ugi h GLU 27 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 1ugi h GLU 27 CO -0.54 0.00 -0.31 0.39 0.07 0.00 0.00 179.01 178.62 1ugi n GLU 28 N -2.78 0.04 -0.02 1.06 1.02 0.13 -3.98 120.64 116.11 1ugi n GLU 28 Ca 0.00 0.02 0.02 0.00 -0.02 0.00 0.00 57.16 57.18 1ugi n GLU 28 Cb 0.21 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 1ugi n GLU 28 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1ugi n VAL 29 N -1.59 0.20 -0.23 2.62 3.14 -0.84 -4.68 118.33 116.96 1ugi n VAL 29 Ca 0.06 -0.27 -0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1ugi n VAL 29 Cb 0.35 -0.05 0.07 0.00 -1.06 0.00 0.00 33.84 33.14 1ugi n VAL 29 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1ugi h GLU 30 N 0.00 -0.01 0.87 1.45 5.08 -1.55 -1.23 114.58 119.19 1ugi h GLU 30 Ca -0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1ugi h GLU 30 Cb 0.80 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ugi h GLU 30 CO 0.00 -0.01 -0.49 0.93 -1.00 0.00 0.00 179.01 178.45 1ugi h GLU 31 N -0.01 -1.21 -0.21 2.33 4.39 -1.83 1.10 114.58 119.14 1ugi h GLU 31 Ca 0.32 0.08 -0.05 0.00 0.34 0.00 0.00 59.36 60.05 1ugi h GLU 31 Cb 0.50 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1ugi h GLU 31 CO -0.69 -0.80 -0.10 0.28 -1.16 0.00 0.00 179.01 176.53 1ugi h VAL 32 N -1.25 1.19 0.01 3.13 2.07 -1.83 -3.21 116.25 116.35 1ugi h VAL 32 Ca -0.12 -0.81 -0.29 0.00 0.82 0.00 0.00 66.70 66.30 1ugi h VAL 32 Cb 0.99 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 1ugi h VAL 32 CO 0.15 0.26 -1.71 0.40 0.02 0.00 0.00 177.57 176.69 1ugi h ILE 33 N 0.31 0.85 0.00 4.57 1.08 -0.96 -3.48 117.51 119.88 1ugi h ILE 33 Ca 0.06 -2.70 0.00 0.00 -0.39 0.00 0.00 64.86 61.83 1ugi h ILE 33 Cb 0.38 2.43 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 1ugi h ILE 33 CO 0.02 0.51 0.00 0.61 -0.69 0.00 0.00 178.15 178.60 1ugi n GLY 34 N 1.57 1.69 3.38 5.37 0.00 0.38 -5.03 105.19 112.54 1ugi n GLY 34 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 1ugi n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ugi s ASN 35 N -3.09 2.37 -0.16 1.61 0.01 -1.22 -4.98 114.94 109.48 1ugi s ASN 35 Ca 0.00 -1.19 -0.04 0.00 -0.71 0.00 0.00 52.86 50.93 1ugi s ASN 35 Cb 0.00 -0.10 -0.03 0.00 0.41 0.00 0.00 41.25 41.54 1ugi s ASN 35 CO 0.00 -0.40 -0.04 -0.75 -1.51 0.00 0.00 177.10 174.40 1ugi s LYS 36 N -3.77 3.65 0.63 -0.60 2.20 -1.26 -3.66 119.74 116.93 1ugi s LYS 36 Ca 0.28 -0.53 -0.11 0.00 -0.36 0.00 0.00 55.97 55.25 1ugi s LYS 36 Cb 0.04 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.43 1ugi s LYS 36 CO 0.10 0.23 1.04 -1.25 -0.36 0.00 0.00 175.35 175.11 1ugi s PRO 37 N 0.38 3.44 0.00 4.03 0.04 -1.26 -4.97 135.00 136.66 1ugi s PRO 37 Ca -0.04 0.82 0.28 0.00 0.04 0.00 0.00 61.00 62.09 1ugi s PRO 37 Cb -0.14 -2.06 0.99 0.00 0.04 0.00 0.00 34.50 33.33 1ugi s PRO 37 CO 0.03 -0.70 1.71 0.39 0.04 0.00 0.00 177.00 178.47 1ugi n GLU 38 N -2.79 1.48 -4.02 4.56 1.02 -1.26 -4.79 120.64 114.83 1ugi n GLU 38 Ca 0.06 -0.86 -0.13 0.00 -0.02 0.00 0.00 57.16 56.22 1ugi n GLU 38 Cb 0.54 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 1ugi n GLU 38 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ugi s SER 39 N -2.11 0.56 0.60 1.62 1.04 -1.26 -5.09 113.70 109.06 1ugi s SER 39 Ca 0.35 -1.32 -0.18 0.00 0.48 0.00 0.00 55.95 55.28 1ugi s SER 39 Cb 0.21 0.68 -0.08 0.00 0.10 0.00 0.00 66.02 66.93 1ugi s SER 39 CO 0.38 -1.33 0.55 0.47 0.98 0.00 0.00 173.24 174.29 1ugi n ASP 40 N -1.21 -0.95 -4.37 7.02 8.00 -1.26 -4.46 116.55 119.31 1ugi n ASP 40 Ca -0.01 0.71 -0.31 0.00 0.71 0.00 0.00 54.79 55.90 1ugi n ASP 40 Cb 0.61 -1.19 -0.14 0.00 -0.02 0.00 0.00 41.12 40.38 1ugi n ASP 40 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ugi s ILE 41 N -1.74 2.35 -0.21 0.53 -1.09 -0.26 -3.73 121.20 117.06 1ugi s ILE 41 Ca 0.69 -1.23 -0.09 0.00 -2.23 0.00 0.00 60.65 57.78 1ugi s ILE 41 Cb -0.43 -1.92 -0.05 0.00 -1.58 0.00 0.00 42.46 38.49 1ugi s ILE 41 CO 0.54 0.42 0.12 -0.76 -1.23 0.00 0.00 174.94 174.03 1ugi s LEU 42 N -1.12 4.08 -0.24 2.97 1.43 0.11 -0.52 118.68 125.39 1ugi s LEU 42 Ca 0.12 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 1ugi s LEU 42 Cb -0.10 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1ugi s LEU 42 CO 0.02 0.15 0.24 -0.69 0.23 0.00 0.00 176.35 176.30 1ugi s VAL 43 N 0.54 5.30 -0.30 -1.59 1.01 0.54 -1.33 120.40 124.56 1ugi s VAL 43 Ca 0.07 0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1ugi s VAL 43 Cb -0.12 -3.58 0.07 0.00 0.00 0.00 0.00 36.38 32.75 1ugi s VAL 43 CO 0.00 0.29 -0.01 -1.00 0.00 0.00 0.00 175.10 174.38 1ugi s HIS 44 N 1.31 3.38 0.32 5.22 0.09 0.63 -1.63 115.29 124.61 1ugi s HIS 44 Ca 0.11 -2.28 -0.07 0.00 -0.00 0.00 0.00 55.06 52.82 1ugi s HIS 44 Cb -0.14 -2.29 -0.06 0.00 -0.00 0.00 0.00 32.58 30.09 1ugi s HIS 44 CO 0.07 -0.87 0.61 0.99 -0.00 0.00 0.00 174.74 175.53 1ugi s THR 45 N 1.13 4.96 -0.26 1.30 2.01 -1.26 -0.56 115.64 122.96 1ugi s THR 45 Ca -0.03 0.22 -0.17 0.00 0.31 0.00 0.00 61.69 62.02 1ugi s THR 45 Cb -0.20 -3.73 0.07 0.00 0.01 0.00 0.00 72.50 68.66 1ugi s THR 45 CO -0.04 -0.36 0.65 0.00 -0.69 0.00 0.00 174.62 174.18 1ugi s ALA 46 N -2.14 -1.72 -0.18 7.40 0.00 0.00 0.11 121.76 125.23 1ugi s ALA 46 Ca 0.46 2.16 -0.11 0.00 0.00 0.00 0.00 51.96 54.47 1ugi s ALA 46 Cb -0.11 -1.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.69 1ugi s ALA 46 CO 0.30 -0.35 0.18 -0.47 0.00 0.00 0.00 175.76 175.42 1ugi s TYR 47 N 1.23 3.44 -0.65 0.00 5.04 -1.26 0.65 117.35 125.81 1ugi s TYR 47 Ca -0.07 0.43 -0.16 0.00 -2.44 0.00 0.00 57.07 54.82 1ugi s TYR 47 Cb -0.05 -2.20 0.15 0.00 0.35 0.00 0.00 41.96 40.21 1ugi s TYR 47 CO -0.13 0.31 0.65 0.34 -1.34 0.00 0.00 175.55 175.39 1ugi s ASP 48 N 0.27 6.36 0.45 4.32 -1.08 0.44 -4.75 116.67 122.68 1ugi s ASP 48 Ca 0.11 -1.94 0.11 0.00 -0.52 0.00 0.00 52.55 50.31 1ugi s ASP 48 Cb -0.12 -2.24 1.02 0.00 -1.46 0.00 0.00 42.92 40.12 1ugi s ASP 48 CO 0.00 -0.86 2.08 -0.08 0.52 0.00 0.00 175.17 176.83 1ugi h GLU 49 N 8.68 0.35 0.00 4.34 4.81 -1.96 0.45 114.58 131.25 1ugi h GLU 49 Ca -0.17 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1ugi h GLU 49 Cb 1.08 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1ugi h GLU 49 CO 0.99 0.23 0.00 0.66 -0.73 0.00 0.00 179.01 180.16 1ugi h SER 50 N 0.36 0.00 0.00 1.04 4.64 -1.95 -2.75 113.55 114.89 1ugi h SER 50 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1ugi h SER 50 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1ugi h SER 50 CO -0.03 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.28 1ugi n THR 51 N -3.03 0.00 -3.61 2.95 -2.24 -1.04 -5.01 114.28 102.30 1ugi n THR 51 Ca -0.03 -0.26 -0.21 0.00 -2.27 0.00 0.00 64.05 61.29 1ugi n THR 51 Cb 0.09 1.25 0.06 0.00 -2.10 0.00 0.00 70.33 69.63 1ugi n THR 51 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ugi n ASP 52 N -0.25 -2.06 -4.48 3.42 2.03 0.10 -4.79 116.55 110.52 1ugi n ASP 52 Ca 0.00 -0.73 -0.29 0.00 0.52 0.00 0.00 54.79 54.29 1ugi n ASP 52 Cb 0.06 -4.50 -0.11 0.00 -0.72 0.00 0.00 41.12 35.85 1ugi n ASP 52 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1ugi s GLU 53 N -5.82 1.77 -0.11 -0.67 2.02 -0.91 -3.42 118.70 111.55 1ugi s GLU 53 Ca 0.08 -1.18 -0.09 0.00 0.02 0.00 0.00 54.97 53.80 1ugi s GLU 53 Cb -0.04 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 1ugi s GLU 53 CO 0.78 0.48 0.20 -0.80 0.02 0.00 0.00 175.26 175.94 1ugi s ASN 54 N -2.10 6.44 -0.15 -0.19 0.01 -0.12 -0.42 114.94 118.41 1ugi s ASN 54 Ca 0.18 0.53 -0.04 0.00 -0.71 0.00 0.00 52.86 52.81 1ugi s ASN 54 Cb -0.11 -2.12 -0.03 0.00 0.41 0.00 0.00 41.25 39.41 1ugi s ASN 54 CO 0.10 0.33 -0.02 -0.69 -1.51 0.00 0.00 177.10 175.31 1ugi s VAL 55 N -0.69 4.10 -0.21 1.60 1.01 0.21 -0.73 120.40 125.68 1ugi s VAL 55 Ca 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1ugi s VAL 55 Cb -0.13 -2.80 0.05 0.00 0.00 0.00 0.00 36.38 33.50 1ugi s VAL 55 CO 0.05 0.50 -0.10 -0.04 0.00 0.00 0.00 175.10 175.51 1ugi s MET 56 N 0.21 2.02 -0.21 2.72 -1.94 0.32 -0.82 119.30 121.60 1ugi s MET 56 Ca -0.01 -0.95 -0.13 0.00 -1.71 0.00 0.00 55.69 52.89 1ugi s MET 56 Cb -0.13 -2.53 -0.05 0.00 2.01 0.00 0.00 34.83 34.13 1ugi s MET 56 CO 0.02 -0.47 0.26 -1.17 -0.01 0.00 0.00 175.02 173.65 1ugi s LEU 57 N 1.35 4.16 -0.22 -0.03 2.96 0.28 -0.75 118.68 126.42 1ugi s LEU 57 Ca -0.03 0.32 -0.08 0.00 -0.22 0.00 0.00 54.13 54.12 1ugi s LEU 57 Cb -0.17 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1ugi s LEU 57 CO -0.07 0.03 0.09 -0.76 -1.32 0.00 0.00 176.35 174.31 1ugi s LEU 58 N 1.00 3.72 0.27 -0.68 1.02 0.88 -0.27 118.68 124.62 1ugi s LEU 58 Ca 0.13 -0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.28 1ugi s LEU 58 Cb -0.14 -1.98 -0.06 0.00 0.02 0.00 0.00 46.19 44.04 1ugi s LEU 58 CO 0.05 0.07 0.01 0.42 0.02 0.00 0.00 176.35 176.92 1ugi s THR 59 N 1.03 1.13 1.03 5.49 -4.23 -0.44 -0.79 115.64 118.86 1ugi s THR 59 Ca 0.05 -2.03 -0.12 0.00 -1.18 0.00 0.00 61.69 58.40 1ugi s THR 59 Cb -0.14 -2.51 0.21 0.00 1.34 0.00 0.00 72.50 71.40 1ugi s THR 59 CO 0.03 -0.20 1.08 -0.94 -0.54 0.00 0.00 174.62 174.04 1ugi s SER 60 N -3.38 2.24 1.03 3.99 1.04 0.07 0.03 113.70 118.72 1ugi s SER 60 Ca 0.32 1.33 -0.13 0.00 0.48 0.00 0.00 55.95 57.95 1ugi s SER 60 Cb 0.06 -2.03 0.20 0.00 0.10 0.00 0.00 66.02 64.36 1ugi s SER 60 CO 0.11 -3.39 1.09 -0.62 0.98 0.00 0.00 173.24 171.42 1ugi s ASP 61 N -3.17 2.37 0.44 7.02 -1.08 -1.24 -3.54 116.67 117.46 1ugi s ASP 61 Ca 0.66 1.13 -0.24 0.00 -0.52 0.00 0.00 52.55 53.58 1ugi s ASP 61 Cb -0.20 -1.78 -0.09 0.00 -1.46 0.00 0.00 42.92 39.39 1ugi s ASP 61 CO 0.59 -3.28 1.18 0.00 0.52 0.00 0.00 175.17 174.18 1ugi n ALA 62 N -4.27 0.90 1.15 3.66 0.00 -1.26 -2.07 120.51 118.62 1ugi n ALA 62 Ca 0.05 0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.84 1ugi n ALA 62 Cb 0.57 -2.21 0.22 0.00 0.00 0.00 0.00 19.45 18.03 1ugi n ALA 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ugi n PRO 63 N -0.08 1.82 0.15 0.00 -0.04 -1.26 -4.86 135.00 130.73 1ugi n PRO 63 Ca 0.08 -1.39 -0.13 0.00 -0.04 0.00 0.00 63.50 62.02 1ugi n PRO 63 Cb 0.40 -1.47 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1ugi n PRO 63 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ugi h GLU 64 N 3.39 -0.36 -6.17 0.54 3.07 -1.84 -3.47 114.58 109.73 1ugi h GLU 64 Ca 0.00 0.02 -0.45 0.00 -0.50 0.00 0.00 59.36 58.43 1ugi h GLU 64 Cb 0.78 0.08 0.01 0.00 -0.84 0.00 0.00 28.75 28.79 1ugi h GLU 64 CO 0.00 -0.06 -0.74 0.66 -1.40 0.00 0.00 179.01 177.47 1ugi n TYR 65 N -5.13 -2.45 -2.37 4.33 4.01 -0.88 -4.89 117.16 109.78 1ugi n TYR 65 Ca -0.09 0.94 -0.43 0.00 -0.16 0.00 0.00 57.90 58.15 1ugi n TYR 65 Cb 0.25 -4.28 -0.02 0.00 -0.31 0.00 0.00 39.34 34.97 1ugi n TYR 65 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1ugi s LYS 66 N -6.51 4.18 0.17 -0.72 2.20 -1.26 -4.62 119.74 113.17 1ugi s LYS 66 Ca 0.62 1.66 -0.33 0.00 -0.36 0.00 0.00 55.97 57.56 1ugi s LYS 66 Cb -0.30 -3.81 -0.13 0.00 -1.51 0.00 0.00 37.83 32.08 1ugi s LYS 66 CO 0.80 -0.79 1.64 -2.30 -0.36 0.00 0.00 175.35 174.34 1ugi n PRO 67 N 6.78 2.37 -0.03 4.03 -0.02 -1.26 -0.75 135.00 146.12 1ugi n PRO 67 Ca 0.14 0.85 -0.04 0.00 -2.02 0.00 0.00 63.50 62.43 1ugi n PRO 67 Cb 0.45 -2.65 -0.02 0.00 -0.02 0.00 0.00 33.50 31.25 1ugi n PRO 67 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1ugi n TRP 68 N 3.73 0.00 -3.55 6.00 -0.00 0.03 -4.69 117.44 118.96 1ugi n TRP 68 Ca 0.17 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.55 1ugi n TRP 68 Cb 0.31 -0.19 -0.04 0.00 -0.00 0.00 0.00 31.31 31.39 1ugi n TRP 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ugi s ALA 69 N -2.10 -1.29 -0.11 5.87 0.00 -0.85 -0.50 121.76 122.78 1ugi s ALA 69 Ca -0.07 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.27 1ugi s ALA 69 Cb 0.02 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.79 1ugi s ALA 69 CO 0.10 -0.63 -0.17 -1.17 0.00 0.00 0.00 175.76 173.89 1ugi s LEU 70 N -2.48 1.81 -0.15 0.00 2.96 0.64 -0.09 118.68 121.38 1ugi s LEU 70 Ca -0.01 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.43 1ugi s LEU 70 Cb 0.00 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.52 1ugi s LEU 70 CO -0.08 0.04 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.19 1ugi s VAL 71 N 0.89 3.24 -0.18 1.68 1.01 0.07 -0.86 120.40 126.25 1ugi s VAL 71 Ca -0.08 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1ugi s VAL 71 Cb -0.15 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1ugi s VAL 71 CO -0.01 0.51 -0.05 -0.63 0.00 0.00 0.00 175.10 174.92 1ugi s ILE 72 N 0.50 3.55 -0.11 2.22 -1.09 -0.28 -0.52 121.20 125.46 1ugi s ILE 72 Ca -0.07 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 1ugi s ILE 72 Cb -0.15 -2.58 -0.02 0.00 -1.58 0.00 0.00 42.46 38.13 1ugi s ILE 72 CO 0.04 0.46 -0.14 -1.58 -1.23 0.00 0.00 174.94 172.49 1ugi s GLN 73 N 0.92 3.20 0.48 2.79 0.74 0.09 -0.41 119.66 127.48 1ugi s GLN 73 Ca -0.01 -0.69 0.01 0.00 0.05 0.00 0.00 55.36 54.72 1ugi s GLN 73 Cb -0.15 -2.57 0.09 0.00 1.10 0.00 0.00 33.01 31.49 1ugi s GLN 73 CO 0.01 0.29 0.66 -0.40 -0.55 0.00 0.00 175.29 175.31 1ugi n ASP 74 N 3.29 1.03 0.29 6.67 5.68 -0.39 -0.94 116.55 132.18 1ugi n ASP 74 Ca -0.18 -1.83 0.17 0.00 -0.50 0.00 0.00 54.79 52.45 1ugi n ASP 74 Cb 0.53 -0.42 0.89 0.00 -1.14 0.00 0.00 41.12 40.98 1ugi n ASP 74 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1ugi h SER 75 N -0.32 0.00 -0.06 -1.12 4.64 -1.86 0.11 113.55 114.93 1ugi h SER 75 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1ugi h SER 75 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1ugi h SER 75 CO 0.25 0.04 0.00 0.59 -0.87 0.00 0.00 176.83 176.84 1ugi n ASN 76 N -3.33 1.56 -0.36 4.97 5.03 -1.26 -4.92 115.26 116.95 1ugi n ASN 76 Ca -0.02 -1.56 -0.05 0.00 0.87 0.00 0.00 54.58 53.83 1ugi n ASN 76 Cb 0.19 -0.03 -0.02 0.00 -1.02 0.00 0.00 39.78 38.90 1ugi n ASN 76 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ugi n GLY 77 N 1.16 0.75 3.83 7.41 0.00 0.38 -5.02 105.19 113.70 1ugi n GLY 77 Ca 0.18 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 45.03 1ugi n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ugi s GLU 78 N -2.34 4.06 -0.06 1.61 2.02 -1.26 -4.82 118.70 117.90 1ugi s GLU 78 Ca 0.00 0.58 -0.00 0.00 0.02 0.00 0.00 54.97 55.57 1ugi s GLU 78 Cb 0.00 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 1ugi s GLU 78 CO 0.00 0.53 -0.03 -0.80 0.02 0.00 0.00 175.26 174.98 1ugi s ASN 79 N -1.51 4.95 -0.24 -0.19 0.01 -1.26 -1.26 114.94 115.44 1ugi s ASN 79 Ca 0.35 0.04 -0.03 0.00 -0.71 0.00 0.00 52.86 52.51 1ugi s ASN 79 Cb -0.16 -1.31 0.01 0.00 0.41 0.00 0.00 41.25 40.20 1ugi s ASN 79 CO 0.19 0.35 -0.04 -0.75 -1.51 0.00 0.00 177.10 175.34 1ugi s LYS 80 N -0.97 3.03 -0.01 -0.60 2.20 0.46 -4.98 119.74 118.87 1ugi s LYS 80 Ca 0.14 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1ugi s LYS 80 Cb -0.11 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 1ugi s LYS 80 CO 0.03 -0.34 -0.04 0.42 -0.36 0.00 0.00 175.35 175.06 1ugi s ILE 81 N 1.39 3.87 -0.04 5.43 1.09 -1.26 -1.12 121.20 130.56 1ugi s ILE 81 Ca 0.02 -0.64 -0.01 0.00 -1.10 0.00 0.00 60.65 58.92 1ugi s ILE 81 Cb -0.16 -2.68 0.03 0.00 -1.06 0.00 0.00 42.46 38.59 1ugi s ILE 81 CO -0.03 0.43 0.06 -0.75 -0.10 0.00 0.00 174.94 174.55 1ugi s LYS 82 N -1.35 -0.05 0.29 2.79 2.20 -0.04 -5.00 119.74 118.58 1ugi s LYS 82 Ca 0.17 0.32 -0.23 0.00 -0.36 0.00 0.00 55.97 55.87 1ugi s LYS 82 Cb -0.11 -0.38 -0.09 0.00 -1.51 0.00 0.00 37.83 35.73 1ugi s LYS 82 CO 0.07 -0.26 0.85 -1.64 -0.36 0.00 0.00 175.35 174.01 1ugi s MET 83 N 1.73 4.41 0.00 4.03 -1.94 -1.26 -0.26 119.30 126.01 1ugi s MET 83 Ca -0.01 1.11 0.12 0.00 -1.71 0.00 0.00 55.69 55.20 1ugi s MET 83 Cb -0.12 -2.79 0.09 0.00 2.01 0.00 0.00 34.83 34.02 1ugi s MET 83 CO -0.03 0.31 0.87 1.28 -0.01 0.00 0.00 175.02 177.44